N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide

C27H26N2O5 — CID 46485556

IUPACN-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCOc1cc(C)c(C(C)NC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2C)C3=O)cc1OC
InChIInChI=1S/C27H26N2O5/c1-15-8-6-7-9-22(15)29-26(31)19-11-10-18(13-21(19)27(29)32)25(30)28-17(3)20-14-24(34-5)23(33-4)12-16(20)2/h6-14,17H,1-5H3,(H,28,30)
InChIKeyAFFXREHNUUSALN-UHFFFAOYSA-N
MW458.51 g/mol
LogP4.61
Rot. Bonds6

About N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide

N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide (PubChem CID 46485556) has the molecular formula C27H26N2O5 and a molecular weight of 458.51 g/mol. Its IUPAC name is N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
PubChem CID46485556
Molecular FormulaC27H26N2O5
Molecular Weight458.51 g/mol
Exact Mass458.18
IUPAC NameN-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCOc1cc(C)c(C(C)NC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2C)C3=O)cc1OC
InChIInChI=1S/C27H26N2O5/c1-15-8-6-7-9-22(15)29-26(31)19-11-10-18(13-21(19)27(29)32)25(30)28-17(3)20-14-24(34-5)23(33-4)12-16(20)2/h6-14,17H,1-5H3,(H,28,30)
InChIKeyAFFXREHNUUSALN-UHFFFAOYSA-N
XLogP4.61
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.51
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-methylphenyl)-1,3-dioxo-N-[(1S)-1-thiophen-2-ylethyl]isoindole-5-carboxamide
CID 51534415
N-tert-butyl-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 4793298
N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-methoxy-4-propan-2-yloxybenzamide
CID 46465379
3,4-dichloro-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]benzamide
CID 46485734
N-[(4-methoxyphenyl)methyl]-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 7959601
2-(2-methylphenyl)-N-[(2-methylphenyl)methyl]-1,3-dioxoisoindole-5-carboxamide
CID 9488931
N-(4-hydroxyphenyl)-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 1364800
5-bromo-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]thiophene-3-carboxamide
CID 78878462
N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 78875284
N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]benzamide
CID 133186104
2-(2-methylphenyl)-1,3-dioxo-N-[3-(1-phenylethoxy)propyl]isoindole-5-carboxamide
CID 46557209
4-methoxy-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3-methylbenzamide
CID 133217534

Frequently Asked Questions

What is the IUPAC name of N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide (CID 46485556) is N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide is COc1cc(C)c(C(C)NC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2C)C3=O)cc1OC.
What is the InChIKey of N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is AFFXREHNUUSALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O5/c1-15-8-6-7-9-22(15)29-26(31)19-11-10-18(13-21(19)27(29)32)25(30)28-17(3)20-14-24(34-5)23(33-4)12-16(20)2/h6-14,17H,1-5H3,(H,28,30).
What are the key properties of N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide?
N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 458.51 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 46485556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).